3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione

C20H20O2 — CID 11737898

IUPAC3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione
SMILESCC(=O)C(C(C)=O)C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O2/c1-15(21)20(16(2)22)19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-14,19-20H,1-2H3/b14-13+
InChIKeyKFZPBMLKEGORMW-BUHFOSPRSA-N
MW292.38 g/mol
LogP4.28
Rot. Bonds6

About 3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione

3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione (PubChem CID 11737898) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione.

Molecular Properties

Compound Name3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione
PubChem CID11737898
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione
SMILESCC(=O)C(C(C)=O)C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O2/c1-15(21)20(16(2)22)19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-14,19-20H,1-2H3/b14-13+
InChIKeyKFZPBMLKEGORMW-BUHFOSPRSA-N
XLogP4.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione?
The IUPAC name of 3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione (CID 11737898) is 3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione.
What is the SMILES notation for 3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione?
The canonical SMILES for 3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione is CC(=O)C(C(C)=O)C(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione?
The InChIKey is KFZPBMLKEGORMW-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H20O2/c1-15(21)20(16(2)22)19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-14,19-20H,1-2H3/b14-13+.
What are the key properties of 3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione?
3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione has a molecular weight of 292.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1,3-diphenylprop-2-enyl]pentane-2,4-dione is sourced from PubChem (CID 11737898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).